3-[3-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]sulfonylpyridine

C17H20N2O2S — CID 143257621

IUPAC3-[3-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]sulfonylpyridine
SMILESCc1ccccc1C1CN(S(=O)(=O)c2cccnc2)CC1C
InChIInChI=1S/C17H20N2O2S/c1-13-6-3-4-8-16(13)17-12-19(11-14(17)2)22(20,21)15-7-5-9-18-10-15/h3-10,14,17H,11-12H2,1-2H3
InChIKeyPNXRMMUFIVWNKN-UHFFFAOYSA-N
MW316.43 g/mol
LogP2.81
Rot. Bonds3

About 3-[3-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]sulfonylpyridine

3-[3-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]sulfonylpyridine (PubChem CID 143257621) has the molecular formula C17H20N2O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is 3-[3-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]sulfonylpyridine.

Molecular Properties

Compound Name3-[3-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]sulfonylpyridine
PubChem CID143257621
Molecular FormulaC17H20N2O2S
Molecular Weight316.43 g/mol
Exact Mass316.12
IUPAC Name3-[3-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]sulfonylpyridine
SMILESCc1ccccc1C1CN(S(=O)(=O)c2cccnc2)CC1C
InChIInChI=1S/C17H20N2O2S/c1-13-6-3-4-8-16(13)17-12-19(11-14(17)2)22(20,21)15-7-5-9-18-10-15/h3-10,14,17H,11-12H2,1-2H3
InChIKeyPNXRMMUFIVWNKN-UHFFFAOYSA-N
XLogP2.81
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,4S)-4-(2-methylphenyl)-1-pyridin-3-ylsulfonylpiperidine-3-carbaldehyde
CID 91373091
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CID 63105318
N,N-dimethyl-1-pyridin-3-ylsulfonylazetidine-3-carboxamide
CID 95815582
5-[(3R,4R)-4-methyl-1-(3-methylphenyl)sulfonylpyrrolidin-3-yl]-3-pyridin-3-yl-1,2,4-oxadiazole
CID 87051934
2,2,6-trimethyl-4-pyridin-3-ylsulfonylmorpholine
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2-methyl-6-(1-pyridin-3-ylsulfonylazetidin-3-yl)oxypyridine
CID 122249733
2-(1-pyridin-3-ylsulfonylazetidin-3-yl)oxypyridine
CID 122247345
2-(1-pyridin-3-ylsulfonylazetidin-3-yl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 86265415
1-(1-pyridin-3-ylsulfonylazetidin-3-yl)piperazine
CID 66195772
3-(4-bromopiperidin-1-yl)sulfonylpyridine
CID 80672721
4-methyl-2-(1-pyridin-3-ylsulfonylpyrrolidin-3-yl)pyrimidine
CID 110103731
(3R)-1-pyridin-3-ylsulfonylpyrrolidin-3-amine;hydrochloride
CID 119962668

Frequently Asked Questions

What is the IUPAC name of 3-[3-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]sulfonylpyridine?
The IUPAC name of 3-[3-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]sulfonylpyridine (CID 143257621) is 3-[3-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]sulfonylpyridine.
What is the SMILES notation for 3-[3-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]sulfonylpyridine?
The canonical SMILES for 3-[3-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]sulfonylpyridine is Cc1ccccc1C1CN(S(=O)(=O)c2cccnc2)CC1C.
What is the InChIKey of 3-[3-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]sulfonylpyridine?
The InChIKey is PNXRMMUFIVWNKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2S/c1-13-6-3-4-8-16(13)17-12-19(11-14(17)2)22(20,21)15-7-5-9-18-10-15/h3-10,14,17H,11-12H2,1-2H3.
What are the key properties of 3-[3-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]sulfonylpyridine?
3-[3-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]sulfonylpyridine has a molecular weight of 316.43 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]sulfonylpyridine is sourced from PubChem (CID 143257621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).